2-[13-methyl-3,17-bis(oxidanyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-yl]-2-[4,4,5,5,6,6,7,7,7-nonakis(fluoranyl)heptyl]undecanoic acid

Systemtic Name: 2-[13-methyl-3,17-bis(oxidanyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-yl]-2-[4,4,5,5,6,6,7,7,7-nonakis(fluoranyl)heptyl]undecanoic acid Openeye Name: 2-(3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-yl)-2-(4,4,5,5,6,6,7,7,7-nonafluoroheptyl)undecanoic acid CAS Name: 2-(3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-yl)-2-(4,4,5,5,6,6,7,7,7-nonafluoroheptyl)undecanoic acid IUPAC Name: 2-(3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-yl)-2-(4,4,5,5,6,6,7,7,7-nonafluoroheptyl)undecanoic acid Traditional Name: 2-(3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-yl)-2-(4,4,5,5,6,6,7,7,7-nonafluoroheptyl)undecanoic acid Formula: C36H49F9O4 MolecularWeight: 716.757489

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(C1CC2=C(C=CC(=C2)O)C3C1C4CCC(C4(CC3)C)O)C(=O)O

Isomeric SMILES

CCCCCCCCCC(CCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(C1CC2=C(C=CC(=C2)O)C3C1C4CCC(C4(CC3)C)O)C(=O)O

InChI

InChI=1S/C36H49F9O4/c1-3-4-5-6-7-8-9-16-32(30(48)49,17-10-18-33(37,38)34(39,40)35(41,42)36(43,44)45)27-21-22-20-23(46)11-12-24(22)25-15-19-31(2)26(29(25)27)13-14-28(31)47/h11-12,20,25-29,46-47H,3-10,13-19,21H2,1-2H3,(H,48,49)